7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H22ClNO5 — CID 18882479

IUPAC7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C30H22ClNO5/c1-18-13-25-23(15-24(18)31)28(33)26-27(32(30(34)29(26)37-25)16-22-11-6-12-35-22)20-9-5-10-21(14-20)36-17-19-7-3-2-4-8-19/h2-15,27H,16-17H2,1H3
InChIKeyMTZOSOWYROPPGK-UHFFFAOYSA-N
MW511.96 g/mol
LogP6.67
Rot. Bonds6

About 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882479) has the molecular formula C30H22ClNO5 and a molecular weight of 511.96 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882479
Molecular FormulaC30H22ClNO5
Molecular Weight511.96 g/mol
Exact Mass511.12
IUPAC Name7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O
InChIInChI=1S/C30H22ClNO5/c1-18-13-25-23(15-24(18)31)28(33)26-27(32(30(34)29(26)37-25)16-22-11-6-12-35-22)20-9-5-10-21(14-20)36-17-19-7-3-2-4-8-19/h2-15,27H,16-17H2,1H3
InChIKeyMTZOSOWYROPPGK-UHFFFAOYSA-N
XLogP6.67
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.96
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882527
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882476
2-(furan-2-ylmethyl)-7-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820073
7-chloro-2-(2-hydroxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882098
2-benzyl-7-chloro-1-(3-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882526
7-chloro-2-(2-methoxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882185
7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882754
7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882455
(1R)-2-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013912
7-chloro-6-methyl-1-(3-phenylmethoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882864
2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820472
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882470

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882479) is 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCc2ccccc2)c1)N(Cc1ccco1)C3=O.
What is the InChIKey of 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MTZOSOWYROPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClNO5/c1-18-13-25-23(15-24(18)31)28(33)26-27(32(30(34)29(26)37-25)16-22-11-6-12-35-22)20-9-5-10-21(14-20)36-17-19-7-3-2-4-8-19/h2-15,27H,16-17H2,1H3.
What are the key properties of 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.96 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).